(3-chlorophenyl)-(4-hydroxy-3-methoxyphenyl)methanone

C14H11ClO3 — CID 21459023

IUPAC(3-chlorophenyl)-(4-hydroxy-3-methoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cccc(Cl)c2)ccc1O
InChIInChI=1S/C14H11ClO3/c1-18-13-8-10(5-6-12(13)16)14(17)9-3-2-4-11(15)7-9/h2-8,16H,1H3
InChIKeyPHYWWULUBJVLPK-UHFFFAOYSA-N
MW262.69 g/mol
LogP3.29
Rot. Bonds3

About (3-chlorophenyl)-(4-hydroxy-3-methoxyphenyl)methanone

(3-chlorophenyl)-(4-hydroxy-3-methoxyphenyl)methanone (PubChem CID 21459023) has the molecular formula C14H11ClO3 and a molecular weight of 262.69 g/mol. Its IUPAC name is (3-chlorophenyl)-(4-hydroxy-3-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-(4-hydroxy-3-methoxyphenyl)methanone
PubChem CID21459023
Molecular FormulaC14H11ClO3
Molecular Weight262.69 g/mol
Exact Mass262.04
IUPAC Name(3-chlorophenyl)-(4-hydroxy-3-methoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cccc(Cl)c2)ccc1O
InChIInChI=1S/C14H11ClO3/c1-18-13-8-10(5-6-12(13)16)14(17)9-3-2-4-11(15)7-9/h2-8,16H,1H3
InChIKeyPHYWWULUBJVLPK-UHFFFAOYSA-N
XLogP3.29
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.69
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chlorophenyl)-(4-hydroxy-3-methoxyphenyl)methanone
CID 21459016
benzoic acid;4-hydroxy-3-methoxybenzoic acid
CID 159798679
N-[(E)-(3-chlorophenyl)methylideneamino]-4-hydroxy-3-methoxybenzamide
CID 71537752
4-hydroxy-3-methoxybenzoic acid;hydrate
CID 118665847
(Z)-3-(3-chlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid
CID 19421636
2-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl chloride
CID 175204394
(3-chlorophenyl)-(3-methoxypyrazin-2-yl)methanone
CID 104514846
acetic acid;1-(4-hydroxy-3-methoxyphenyl)ethanone
CID 66599170
1,3-bis(4-hydroxy-3-methoxyphenyl)propane-1,3-dione
CID 143339753
(2-hydroxyphenyl) 3-chlorobenzoate
CID 4525221
(2S)-2-chloro-1-(4-hydroxy-3-methoxyphenyl)propan-1-one
CID 95423197
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-4-hydroxy-3-methoxybenzamide
CID 872770

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(4-hydroxy-3-methoxyphenyl)methanone?
The IUPAC name of (3-chlorophenyl)-(4-hydroxy-3-methoxyphenyl)methanone (CID 21459023) is (3-chlorophenyl)-(4-hydroxy-3-methoxyphenyl)methanone.
What is the SMILES notation for (3-chlorophenyl)-(4-hydroxy-3-methoxyphenyl)methanone?
The canonical SMILES for (3-chlorophenyl)-(4-hydroxy-3-methoxyphenyl)methanone is COc1cc(C(=O)c2cccc(Cl)c2)ccc1O.
What is the InChIKey of (3-chlorophenyl)-(4-hydroxy-3-methoxyphenyl)methanone?
The InChIKey is PHYWWULUBJVLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO3/c1-18-13-8-10(5-6-12(13)16)14(17)9-3-2-4-11(15)7-9/h2-8,16H,1H3.
What are the key properties of (3-chlorophenyl)-(4-hydroxy-3-methoxyphenyl)methanone?
(3-chlorophenyl)-(4-hydroxy-3-methoxyphenyl)methanone has a molecular weight of 262.69 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-(4-hydroxy-3-methoxyphenyl)methanone is sourced from PubChem (CID 21459023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).